orbital_charges     :real:2:4,3
  0.173394762615126E+001  0.168431656769771E+001  0.117532912127626E+001
  0.200000000000000E+001  0.703203342437980E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703203342436789E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.922531746205213E-014 -0.691946500097629E-013 -0.119941556686598E-011
 -0.516249044184794E-014  0.472705208309776E-012  0.000000000000000E+000
 -0.406282702020419E-014 -0.403538313875629E-012  0.000000000000000E+000
mermin_energy       :real:0:
 -0.407792346751316E+001
end_coords          :real:2:3,3
  0.411783636675665E-026 -0.134775639960573E+001  0.110180421216382E-011
  0.808972677156274E-013 -0.270984794486883E+000  0.147977639152057E+001
 -0.808972677156315E-013 -0.270984794486314E+000 -0.147977639152057E+001
